[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine

C11H20N4O2 — CID 106960042

IUPAC[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCCCOC1CCCN(c2nnc(CN)o2)C1
InChIInChI=1S/C11H20N4O2/c1-2-6-16-9-4-3-5-15(8-9)11-14-13-10(7-12)17-11/h9H,2-8,12H2,1H3
InChIKeyQUQBMBJCYCCPSQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.92
Rot. Bonds5

About [5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 106960042) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is [5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID106960042
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCCCOC1CCCN(c2nnc(CN)o2)C1
InChIInChI=1S/C11H20N4O2/c1-2-6-16-9-4-3-5-15(8-9)11-14-13-10(7-12)17-11/h9H,2-8,12H2,1H3
InChIKeyQUQBMBJCYCCPSQ-UHFFFAOYSA-N
XLogP0.92
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 106960042) is [5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine is CCCOC1CCCN(c2nnc(CN)o2)C1.
What is the InChIKey of [5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is QUQBMBJCYCCPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-6-16-9-4-3-5-15(8-9)11-14-13-10(7-12)17-11/h9H,2-8,12H2,1H3.
What are the key properties of [5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 240.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-propoxypiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 106960042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).